9 results on '"Martínez-Araya, Jorge I."'
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2. The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations
3. The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor
4. Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans’ theorem
5. A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper–softness
6. A combined QTAIM/IRI topological analysis of the effect of axial/equatorial positions of NH2 and CN substituents in the [(PY5Me2)MoO]+ complex.
7. The effect of [formula omitted] interactions on the sensitivity of C[sbnd]NO[formula omitted] trigger bonds in FOX-7: Approach based on the QTAIM/EDA-NOCV analysis.
8. Theoretical investigation of the effect of [formula omitted] interactions on the sensitivity of energetic N-nitro compounds.
9. Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices.
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